N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-5-methylpyrazine-2-carboxamide

C25H21FN4O4S — CID 58541373

IUPACN-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-5-methylpyrazine-2-carboxamide
SMILESCOc1cccc(F)c1Oc1ccc(NC(=O)c2cnc(C)cn2)cc1CC(=O)Cc1nccs1
InChIInChI=1S/C25H21FN4O4S/c1-15-13-29-20(14-28-15)25(32)30-17-6-7-21(34-24-19(26)4-3-5-22(24)33-2)16(10-17)11-18(31)12-23-27-8-9-35-23/h3-10,13-14H,11-12H2,1-2H3,(H,30,32)
InChIKeyAKPXRMHCSPDJGB-UHFFFAOYSA-N
MW492.53 g/mol
LogP4.79
Rot. Bonds9

About N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-5-methylpyrazine-2-carboxamide

N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-5-methylpyrazine-2-carboxamide (PubChem CID 58541373) has the molecular formula C25H21FN4O4S and a molecular weight of 492.53 g/mol. Its IUPAC name is N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-5-methylpyrazine-2-carboxamide
PubChem CID58541373
Molecular FormulaC25H21FN4O4S
Molecular Weight492.53 g/mol
Exact Mass492.13
IUPAC NameN-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-5-methylpyrazine-2-carboxamide
SMILESCOc1cccc(F)c1Oc1ccc(NC(=O)c2cnc(C)cn2)cc1CC(=O)Cc1nccs1
InChIInChI=1S/C25H21FN4O4S/c1-15-13-29-20(14-28-15)25(32)30-17-6-7-21(34-24-19(26)4-3-5-22(24)33-2)16(10-17)11-18(31)12-23-27-8-9-35-23/h3-10,13-14H,11-12H2,1-2H3,(H,30,32)
InChIKeyAKPXRMHCSPDJGB-UHFFFAOYSA-N
XLogP4.79
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-5-methylpyrazine-2-carboxamide (CID 58541373) is N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-5-methylpyrazine-2-carboxamide is COc1cccc(F)c1Oc1ccc(NC(=O)c2cnc(C)cn2)cc1CC(=O)Cc1nccs1.
What is the InChIKey of N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is AKPXRMHCSPDJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O4S/c1-15-13-29-20(14-28-15)25(32)30-17-6-7-21(34-24-19(26)4-3-5-22(24)33-2)16(10-17)11-18(31)12-23-27-8-9-35-23/h3-10,13-14H,11-12H2,1-2H3,(H,30,32).
What are the key properties of N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-5-methylpyrazine-2-carboxamide?
N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 492.53 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 58541373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).